Acomonine hydrochloride
TL;DR: Acomonine hydrochloride (CAS 58111-33-4) is a chemical compound with molecular formula C25H42ClNO7 and molecular weight 503.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,5S,6S,8S,10S,17R,18S)-11-ethyl-3,6,18-trimethoxy-13-(methoxymethyl)-11-azoniahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-8,9,16-triol chloride
Also Known As: Acomonine hydrochloride, Delsoline hydrochloride, O(sup 14)-Methyliliensine hydrochloride, Aconitane-1,7,8-triol, 20-ethyl-4-(methoxymethyl)-6,14,16-trimethoxy-, monohydrochloride, (1-alpha,6-beta,14-alpha,16-beta)-
| Molecular Formula | C25H42ClNO7 |
|---|---|
| Molecular Weight | 503.26 g/mol |
| LogP | -4.0 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 503.26498 |
| Heavy Atoms | 34 |
| Complexity | 829.0 |
Chemical Identifiers
| CAS Number | 58111-33-4 |
|---|---|
| SMILES | CC[NH+]1CC2(CCC(C34[C@@H]2[C@@H](C([C@H]31)([C@]5(C[C@@H]([C@H]6C[C@@H]4C5(C6)OC)OC)O)O)OC)O)COC.[Cl-] |
| InChIKey | HPCUFELRLSMRHW-BGCUAWIOSA-N |
Product Overview
Acomonine hydrochloride (CAS 58111-33-4), with molecular formula C25H42ClNO7 and molecular weight 503.26 g/mol. IUPAC: (2S,5S,6S,8S,10S,17R,18S)-11-ethyl-3,6,18-trimethoxy-13-(methoxymethyl)-11-azoniahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-8,9,16-triol chloride.
Chemical Property Profile of Acomonine hydrochloride
Property Insights of Acomonine hydrochloride
The XLogP value of -4.0 indicates that Acomonine hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acomonine hydrochloride. Following Lipinski's Rule of Five, Acomonine hydrochloride has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acomonine hydrochloride?
The CAS number of Acomonine hydrochloride is 58111-33-4.
What is the molecular formula of Acomonine hydrochloride?
The molecular formula of Acomonine hydrochloride is C25H42ClNO7.
What is the molecular weight of Acomonine hydrochloride?
The molecular weight of Acomonine hydrochloride is 503.26 g/mol.
Where can I buy Acomonine hydrochloride?
You can request a quote for Acomonine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acomonine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Acomonine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.